Mercurial > repos > fgiacomoni > bank_inhouse
diff test-data/outFull_test2.tabular @ 1:52798007c6b2 draft default tip
Master branch Updating - - Fxx
| author | fgiacomoni |
|---|---|
| date | Thu, 24 Jan 2019 10:02:05 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outFull_test2.tabular Thu Jan 24 10:02:05 2019 -0500 @@ -0,0 +1,57 @@ +id masses MzDelta_Query-Bank(0.005Da)_BiH_w4mBank MzBank_BiH_w4mBank ENTRY_BiH_w4mBank NAME_BiH_w4mBank FORMULA_BiH_w4mBank MASS_BiH_w4mBank PATHWAYS_BiH_w4mBank SOURCE_BiH_w4mBank MODE_BiH_w4mBank TISSUES_BiH_w4mBank +C19H18O11 422.0849114 0.0024114 422.0825 C00689 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C02591 Sucrose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C02995 Maltose 6'-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C04534 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C05396 Lactose 6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C16688 Sucrose-6-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C16689 poly-cis-Polyprenyl diphosphate longer by one C5 unit C11H22O7P2 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C16690 5-L-Glutamyl-D-glutamyl-peptide C10H16N3O6R 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C16691 DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine C10H16N5O8P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0024114 422.0825 C18050 beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate C12H23O14P 422.0825 NA KEGG NA NA +C19H18O11 422.0849114 0.0023704 422.082541 MJ059635 1,1'-Di-myo-inosityl phosphate C12H23O14P 422.082541 NA MeJP NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MJ059636 alpha,alpha'-Trehalose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MJ059637 Lactose 6-phosphate C12H23O14P 422.082542 NA MeJP NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MJ059638 Maltose 6'-phosphate C12H23O14P 422.082542 NA MeJP NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MJ059639 Sugar 1-phosphate C12H23O14P 422.082542 NA MeJP NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03484 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03485 maltose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03486 trehalose 6-phosphate [α,α-trehalose 6-phosphate;] C12H23O14P1 422.082542 4484-88-2 metacyc NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03487 sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;] C12H23O14P1 422.082542 NA metacyc NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03488 lactose 6'-phosphate [] C12H23O14P1 422.082542 NA metacyc NA NA +C19H18O11 422.0849114 0.0023694 422.082542 MetaCyc03489 6-phospho-β-D-glucosyl-(1,4)-D-glucose [] C12H23O14P1 422.082542 NA metacyc NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB01124 HMDB NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 http://www.hmdb.ca/metabolites/HMDB06789 HMDB NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 HMDB01124 PFEM_hmdb_metabocards_official NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 HMDB06789 PFEM_hmdb_metabocards_official NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB01124 Trehalose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +C19H18O11 422.0849114 0.0023614 422.08255 HMDB06789 Lactose 6-phosphate C12H23O14P 422.08255 NA HMDB2010 NA NA +C19H18O11 422.0849114 0.0000114 422.0849 C10077 Mangiferin C19H18O11 422.0849 NA KEGG NA NA +C19H18O11 422.0849114 0.0000114 422.0849 C10089 Norswertianolin C19H18O11 422.0849 NA KEGG NA NA +C19H18O11 422.0849114 0.0000114 422.0849 C10095 Tripteroside C19H18O11 422.0849 NA KEGG NA NA +C19H18O11 422.0849114 0.0000114 422.0849 C16979 Isomangiferin C19H18O11 422.0849 NA KEGG NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059640 1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059641 1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059642 1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059643 1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059644 1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059645 2-Glucosyl-1,3,5,6-tetrahydroxyxanthone C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059646 Chrysograyanone C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059647 Dilatatin C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059648 Isomangiferin C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059649 Mangiferin C19H18O11 422.084911 NA MeJP NA NA +C19H18O11 422.0849114 0.0000004 422.084911 MJ059650 Nigricanside C19H18O11 422.084911 NA MeJP NA NA +H2O 18.0105647 0.0000057 18.010559 HMDB02111 Water H2O 18.010559 NA HMDB2010 NA NA +H2O 18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 http://www.hmdb.ca/metabolites/HMDB02111 HMDB NA NA +H2O 18.0105647 0.0000047 18.01056 HMDB02111 Water H2O 18.01056 HMDB02111 PFEM_hmdb_metabocards_official NA NA +H2O 18.0105647 0.0000007 18.010564 MJ000004 Water H2O 18.010564 NA MeJP NA NA +H2O 18.0105647 0.0000007 18.010564 MJ000005 H2O H2O 18.010564 NA MeJP NA NA +H2O 18.0105647 0.0000003 18.010565 MetaCyc00008 H2O [H20;hydrogen oxide;water;] H2O1 18.010565 7732-18-5 metacyc NA NA +H2O 18.0105647 0.0000353 18.0106 C00001 H2O H2O 18.0106 NA KEGG NA NA +C18H45N7O11 535.3181236 0.0036066 535.314517 MJ078445 Labiatamide A C29H45NO8 535.314517 NA MeJP NA NA +C18H45N7O11 535.3181236 0.0036066 535.314517 MJ078446 Neoline; O8,O14-Di-Ac, O1-Me C29H45NO8 535.314517 NA MeJP NA NA +C18H45N7O11 535.3181236 0.0036066 535.314517 MJ078447 Zygadenine; O3-Ac C29H45NO8 535.314517 NA MeJP NA NA +Bismuth 209.987659 0.000604 209.987055 MJ008190 Zinc(II) propanoate C6H10O4Zn 209.987055 NA MeJP NA NA +Halothane 98.952389 No_match_in_bank NA NA NA NA NA NA NA NA NA +Picolinic acid 199.951068 0.003776 199.947292 MJ006975 3-Bromo-4-hydroxybenzaldehyde C7H5BrO2 199.947292 NA MeJP NA NA +Picolinic acid 199.951068 0.003776 199.947292 MJ006976 3-Bromobenzoic acid C7H5BrO2 199.947292 NA MeJP NA NA